1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine

C12H11N5S — CID 79530510

IUPAC1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine
SMILESNc1cn(Cc2csc(-c3ccccc3)n2)nn1
InChIInChI=1S/C12H11N5S/c13-11-7-17(16-15-11)6-10-8-18-12(14-10)9-4-2-1-3-5-9/h1-5,7-8H,6,13H2
InChIKeyRYGKXUVJGBZNJM-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.03
Rot. Bonds3

About 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine

1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine (PubChem CID 79530510) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine
PubChem CID79530510
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine
SMILESNc1cn(Cc2csc(-c3ccccc3)n2)nn1
InChIInChI=1S/C12H11N5S/c13-11-7-17(16-15-11)6-10-8-18-12(14-10)9-4-2-1-3-5-9/h1-5,7-8H,6,13H2
InChIKeyRYGKXUVJGBZNJM-UHFFFAOYSA-N
XLogP2.03
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine
CID 71259693
1-[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]triazol-4-yl]ethanamine
CID 114419689
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
4-[[4-(chloromethyl)triazol-1-yl]methyl]-2-(2-chlorophenyl)-1,3-thiazole
CID 62400080
4-[[4-(bromomethyl)triazol-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 55071920
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79992782
4-[[4-(bromomethyl)triazol-1-yl]methyl]-2-(2-chlorophenyl)-1,3-thiazole
CID 62399905
2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole
CID 8684946
1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79531091

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine (CID 79530510) is 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine is Nc1cn(Cc2csc(-c3ccccc3)n2)nn1.
What is the InChIKey of 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine?
The InChIKey is RYGKXUVJGBZNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c13-11-7-17(16-15-11)6-10-8-18-12(14-10)9-4-2-1-3-5-9/h1-5,7-8H,6,13H2.
What are the key properties of 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine?
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine has a molecular weight of 257.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79530510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).